CUDC-101

Ligand id: 8894

Name: CUDC-101

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 105.6
Molecular weight 434.2
XLogP 4.06
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
Synonyms
compound 8 [PMID: 20143778] | CUDC101
Database Links
BindingDB Ligand 50307768
CAS Registry No. 1012054-59-9 (source: PubChem)
ChEMBL Ligand CHEMBL598797
GtoPdb PubChem SID 310264675
PubChem CID 24756910
Search Google for chemical match using the InChIKey PLIVFNIUGLLCEK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PLIVFNIUGLLCEK
Search UniChem for chemical match using the InChIKey PLIVFNIUGLLCEK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PLIVFNIUGLLCEK
Comments
CUDC-101 is an orally available Phase I compound which is multiacting, inhibiting class I/II histone deacetylases (HDACs) but not the class III sirtuins, and the type I receptor tyrosine kinases EGFR and ERBB2 (HER2) [1]. Targeting two pathogenic pathways simultaneously is one of the strategies being evaluated to overcome problems associated with molecular heterogeneity of tumours and the development of drug resistance.